1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one

C10H17NO — CID 83963280

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)C1=NCCC1
InChIInChI=1S/C10H17NO/c1-3-8(4-2)10(12)9-6-5-7-11-9/h8H,3-7H2,1-2H3
InChIKeyKXMYPGKTPVPROW-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.23
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one

1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one (PubChem CID 83963280) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one
PubChem CID83963280
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)C1=NCCC1
InChIInChI=1S/C10H17NO/c1-3-8(4-2)10(12)9-6-5-7-11-9/h8H,3-7H2,1-2H3
InChIKeyKXMYPGKTPVPROW-UHFFFAOYSA-N
XLogP2.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one
CID 91252181
1-Pyrroline, 2-butanoyl
CID 529249
1-Pyrroline, 2-hexanoyl
CID 529250
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
1-(6-Methyl-2,3,4,5-tetrahydropyridin-5-yl)ethanone
CID 53819182
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934
Bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone
CID 54498059
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
CID 57329290
2,3-Ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one
CID 59067701
2-Tert-butyl-3-propan-2-yl-5-propyl-2,3-dihydropyrrol-4-one
CID 59067739
2-butan-2-yl-5,5-dimethyl-3H-pyrrol-4-one
CID 59124835
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615837

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one (CID 83963280) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one is CCC(CC)C(=O)C1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one?
The InChIKey is KXMYPGKTPVPROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-8(4-2)10(12)9-6-5-7-11-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one?
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one has a molecular weight of 167.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylbutan-1-one is sourced from PubChem (CID 83963280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).